SCHEMBL9936252

SCHEMBL9936252

C=CCCS(=O)(=O)[O-].CC[n+]1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APLNR P35414 1/20 0.35
MMP13 P45452 6/20 0.34
MMP1 P03956 4/20 0.34
MMP9 P14780 1/20 0.34
PKM P14618 3/20 0.34
MMP8 P22894 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9935722 0.86 FFAR4 (0.39) PABPC1EIF4HCTDSP1FFAR4ALDH1A1
SCHEMBL9934634 0.80 PKM (0.44) PABPC1EIF4HCTDSP1ALDH1A1APLNR
SCHEMBL9935647 0.76 NPSR1 (0.36) PABPC1EIF4HCTDSP1FFAR4ALDH1A1
SCHEMBL9935346 0.76 NPSR1 (0.36) PABPC1EIF4HCTDSP1ALDH1A1MMP13
SCHEMBL9935650 0.76 NPSR1 (0.36) PABPC1EIF4HCTDSP1FFAR4ALDH1A1
SCHEMBL9935884 0.75 MMP9 (0.39) PABPC1EIF4HCTDSP1ALDH1A1MMP13
SCHEMBL9935352 0.74 CA1 (0.48) ALDH1A1CYP3A4ACHENPSR1
SCHEMBL1292845 0.69 HDAC8 (0.40) ALDH1A1MEN1KMT2AACHE
SCHEMBL9935409 0.67 PABPC1 (0.35) PABPC1EIF4HCTDSP1
Potassium Ion SCHEMBL30825599 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 PABPC1 1839/4885EIF4H 492/4885CTDSP1 1265/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.